1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one

C15H19N3O2S — CID 145240011

IUPAC1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one
SMILESCC1(S(=O)N2CCC3(CC2)C(=O)Nc2cnccc23)CC1
InChIInChI=1S/C15H19N3O2S/c1-14(3-4-14)21(20)18-8-5-15(6-9-18)11-2-7-16-10-12(11)17-13(15)19/h2,7,10H,3-6,8-9H2,1H3,(H,17,19)
InChIKeyYZOPGRCCFODJOF-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.58
Rot. Bonds2

About 1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one

1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one (PubChem CID 145240011) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one
PubChem CID145240011
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one
SMILESCC1(S(=O)N2CCC3(CC2)C(=O)Nc2cnccc23)CC1
InChIInChI=1S/C15H19N3O2S/c1-14(3-4-14)21(20)18-8-5-15(6-9-18)11-2-7-16-10-12(11)17-13(15)19/h2,7,10H,3-6,8-9H2,1H3,(H,17,19)
InChIKeyYZOPGRCCFODJOF-UHFFFAOYSA-N
XLogP1.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one (CID 145240011) is 1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one is CC1(S(=O)N2CCC3(CC2)C(=O)Nc2cnccc23)CC1.
What is the InChIKey of 1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one?
The InChIKey is YZOPGRCCFODJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-14(3-4-14)21(20)18-8-5-15(6-9-18)11-2-7-16-10-12(11)17-13(15)19/h2,7,10H,3-6,8-9H2,1H3,(H,17,19).
What are the key properties of 1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one?
1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one has a molecular weight of 305.40 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-methylcyclopropyl)sulfinylspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 145240011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).